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MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
Heyndrickx W, Mervin L, Morawietz T, Sturm N, Friedrich L, Zalewski A, Pentina A, Humbeck L, Oldenhof M, Niwayama R, Schmidtke P, Fechner N, Simm J, Arany A, Drizard N, Jabal R, Afanasyeva A, Loeb R, Verma S, Harnqvist S, Holmes M, Pejo B, Telenczuk M, Holway N, Dieckmann A, Rieke N, Zumsande F, Clevert DA, Krug M, Luscombe C, Green D, Ertl P, Antal P, Marcus D, Do Huu N, Fuji H, Pickett S, Acs G, Boniface E, Beck B, Sun Y, Gohier A, Rippmann F, Engkvist O, Göller AH, Moreau Y, Galtier MN, Schuffenhauer A, Ceulemans H. Heyndrickx W, et al. Among authors: engkvist o. J Chem Inf Model. 2024 Apr 8;64(7):2331-2344. doi: 10.1021/acs.jcim.3c00799. Epub 2023 Aug 29. J Chem Inf Model. 2024. PMID: 37642660 Free PMC article.
IMI European Lead Factory - democratizing access to high-throughput screening.
Jones PS, Boucharens S, McElroy SP, Morrison A, Honarnejad S, van Boeckel S, van den Hurk H, Basting D, Hüser J, Jaroch S, Ottow E, Benningshof J, Folmer RHA, Leemhuis F, Kramer-Verhulst PM, Nies VJM, Orrling KM, Rijnders T, Pfander C, Engkvist O, Pairaudeau G, Simpson PB, Ortholand JY, Roche D, Dömling A, Kühnert SM, Roevens PWM, van Vlijmen H, van Wanrooij EJA, Verbruggen C, Nussbaumer P, Ovaa H, van der Stelt M, Simonsen KB, Tagmose L, Waldmann H, Duffy J, Finsinger D, Jurzak M, Burgess-Brown NA, Lee WH, Rutjes FPJT, Haag H, Kallus C, Mors H, Dorval T, Lesur B, Ramon Olayo F, Hamza D, Jones G, Pearce C, Piechot A, Tzalis D, Clausen MH, Davis J, Derouane D, Vermeiren C, Kaiser M, Stockman RA, Barrault DV, Pannifer AD, Swedlow JR, Nelson AS, Orru RVA, Ruijter E, van Helden SP, Li VM, Vries T, de Vlieger JSB. Jones PS, et al. Among authors: engkvist o. Nat Rev Drug Discov. 2022 Apr;21(4):245-246. doi: 10.1038/d41573-021-00196-3. Nat Rev Drug Discov. 2022. PMID: 34907316 No abstract available.
Orthologue chemical space and its influence on target prediction.
Mervin LH, Bulusu KC, Kalash L, Afzal AM, Svensson F, Firth MA, Barrett I, Engkvist O, Bender A. Mervin LH, et al. Among authors: engkvist o. Bioinformatics. 2018 Jan 1;34(1):72-79. doi: 10.1093/bioinformatics/btx525. Bioinformatics. 2018. PMID: 28961699 Free PMC article.
160 results